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Ethanol → (2RS,3RS)-3-(3-chlorophenyl)-3-hydroxy-2-[4-(2,2,3,3,3-pentafluoropropyl)benzyl]propionic acid

HRID 1153033
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HRID 1153033 반응식
[CH2:33]([OH:34])[CH3:35].[Cl:1][c:2]1[cH:3][c:4]([CH:8]([CH:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH2:15][c:16]2[cH:17][cH:18][c:19]([CH2:22][C:23]([C:24]([F:25])([F:26])[F:27])([F:28])[F:29])[cH:20][cH:21]2)[OH:30])[cH:5][cH:6][cH:7]1.[Na+:32].[O:36]1[CH2:37][CH2:38][CH2:39][CH2:40]1.[OH-:31]>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]([CH:9]([C:10](=[O:11])[OH:12])[CH2:15][c:16]2[cH:17][cH:18][c:19]([CH2:22][C:23]([C:24]([F:25])([F:26])[F:27])([F:28])[F:29])[cH:20][cH:21]2)[OH:30])[cH:5][cH:6][cH:7]1
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HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 86593311ethyl (2RS,3RS)-3-(3-chlorophenyl)-3-hydroxy-2-[4-(2,2,3,3,3-pentafluoropropyl)benzyl]propionate

생성물 1

HCID 22262096(2RS,3RS)-3-(3-chlorophenyl)-3-hydroxy-2-[4-(2,2,3,3,3-pentafluoropropyl)benzyl]propionic acid

출처 및 근거

ORD 기록
ord-d4dfdd430bac4e23a398cf8c4bdd3396
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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